SCHEMBL19971214

SCHEMBL19971214

C=C(C)C(=O)NC[N+](CCCC)(CCCC)CCCS(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.38
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ENPP2 Q13822 3/20 0.32
TGFBR1 P36897 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19971176 0.94 BBOX1 (0.38) BBOX1EPHX2TGFBR1
SCHEMBL19971261 0.90 BBOX1 (0.42) BBOX1EPHX2TGFBR1
SCHEMBL19971298 0.88 EPHX2 (0.44) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971337 0.82 EPHX2 (0.41) BBOX1EPHX2ENPP2
SCHEMBL19971308 0.81 BBOX1 (0.49) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971333 0.81 BBOX1 (0.41) BBOX1EPHX2TGFBR1
SCHEMBL19971275 0.81 ZDHHC20 (0.43) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971247 0.79 BBOX1 (0.35) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971194 0.78 MEN1 (0.33) EPHX2MEN1LMNAPOLBGRK2
SCHEMBL19971311 0.75 ZDHHC20 (0.40) BBOX1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530286-B2 Sulfobetaine-based protein aggregation inhibitor for use in preventing aggregation of a protein OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2022-12-20 US disclosed
US-10995160-B2 Protein aggregation inhibitor OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2021-05-04 US disclosed
US-20200332044-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2020-10-22 US disclosed
US-20190161563-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2019-05-30 US disclosed
US-20180118859-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2018-05-03 US disclosed
EP-3296314-A1 PROTEIN AGGREGATION INHIBITOR Osaka Organic Chemical Industry Ltd. (JP) 2018-03-21 EP disclosed